General Information of the Compound
| Compound ID |
CP0731398
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| Compound Name |
(3R)-4-[8-(1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-9H-purin-6-yl]-3-methylmorpholine
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| Structure |
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| Formula |
C23H27N7O2
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| Molecular Weight |
433.516
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| Canonical SMILES |
C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2[nH]c(-c3cccc4[nH]ccc34)nc12
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| InChI |
InChI=1S/C23H27N7O2/c1-14-12-31-10-8-29(14)22-19-21(27-23(28-22)30-9-11-32-13-15(30)2)26-20(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3,(H,25,26,27,28)/t14-,15+/m1/s1
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| InChIKey |
BYPBFDASESWSQG-CABCVRRESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound